ethyl 3-{[2,5-dimethyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[2,5-dimethyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
ethyl 3-{[2,5-dimethyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G895-0849 |
| Compound Name: | ethyl 3-{[2,5-dimethyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1c(C)c2c(nc(C)nc2s1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1891 |
| logD: | 5.1598 |
| logSw: | -5.2321 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.123 |
| InChI Key: | PAUMNESIQITSDX-UHFFFAOYSA-N |